NUM RES HA H N CA CB C --- --- ------ ------ -------- ------- ------- -------- 1 M 4.3372 8.3044 120.3518 55.3396 33.2556 174.0872 2 R 4.3530 8.3854 126.5822 54.4527 31.5618 173.9357 3 H 5.0003 9.4212 123.5802 54.4695 31.2562 174.5496 4 I 4.0027 8.2814 122.3302 61.3882 37.7906 176.3761 5 S 4.6457 9.3781 119.4765 56.7173 64.5486 173.4317 6 P 4.2907 0.0000 0.0000 65.9492 30.8258 178.6513 7 E 4.1164 7.8328 116.0860 58.9744 29.7093 179.0459 8 E 3.9913 8.1393 120.1448 59.0133 29.4107 178.8959 9 L 3.9466 7.8353 119.9114 58.2597 42.3556 178.7536 10 I 3.6994 7.8445 119.5091 64.4594 37.0033 178.2251 11 A 4.0406 7.8159 121.4631 55.0683 18.2152 179.5255 12 L 3.9257 7.8591 117.2405 58.2701 41.7087 179.1026 13 H 4.1416 8.4928 118.0989 59.5281 29.7609 176.7392 14 D 4.3519 8.6654 120.6295 57.5573 40.7295 178.7893 15 A 3.9861 8.3860 121.3853 55.3573 18.1210 179.4027 16 N 4.5139 8.1167 113.8949 56.1982 38.8139 177.5319 17 I 3.9103 7.9315 121.0241 64.5766 37.2317 178.0538 18 S 4.2281 8.0761 115.0050 60.9905 62.9332 175.5329 19 R 3.8326 7.2011 119.0089 56.9581 30.4588 175.9557 20 Y 3.6045 7.5940 119.5159 57.1282 37.0944 168.5455 *29 P 4.3938 0.0000 0.0000 62.0218 33.2039 177.4941 30 G 4.1253 7.5901 104.4641 44.3969 0.0000 170.9029 31 R 4.0306 8.2648 119.3696 57.4772 28.7239 178.7754 32 A 4.1943 7.8627 120.5952 55.8059 18.5659 179.8323 33 E 3.9135 8.2436 116.1440 61.3138 29.7234 180.9182 34 A 4.1514 7.9498 121.3303 55.1413 18.4100 179.1466 35 I 3.7415 8.1242 118.4583 65.0042 37.1681 178.4219 36 I 3.7556 8.0889 120.2275 64.6135 37.0052 178.8551 37 G 3.4019 8.5965 109.2271 48.3750 0.0000 176.6669 38 R 3.9045 8.5944 123.8340 60.9560 29.4095 181.3985 39 V 3.5785 7.9318 118.9050 66.1701 31.1576 178.3664 40 Q 3.9095 8.6657 118.3686 58.4621 28.3179 178.8040 41 A 3.4741 8.0047 124.5342 55.6629 18.4418 180.5182 42 R 3.8030 7.4177 118.6916 61.6035 29.6044 181.0528 43 V 3.7914 7.6852 118.7978 65.5358 31.2159 178.0868 44 A 4.0968 7.3614 119.2409 55.3437 18.6178 179.0654 45 Y 4.5590 8.5809 114.6008 60.0639 38.0108 177.0119 46 E 4.6341 8.1331 119.7094 55.5461 30.4842 176.1867 *47 E 3.8459 8.2379 111.3975 57.2288 27.2298 179.1521 48 I 3.9294 7.2900 119.9742 62.8896 37.3325 176.0426 49 T 4.5116 8.4136 117.8819 61.4661 69.6177 174.1532 50 D 4.7134 7.8935 121.2681 52.6889 41.7695 177.2616 51 L 3.9236 8.3786 122.0268 58.0279 41.7111 179.8554 52 F 4.1600 8.0292 117.1715 60.2489 38.7820 177.7289 53 E 4.0684 8.4390 118.1901 59.3137 29.3431 179.2812 54 V 3.6100 7.7138 118.0205 65.8503 31.6196 177.7665 55 S 4.1581 8.4321 113.1198 61.6174 62.0976 175.9816 56 A 4.0788 8.1219 123.1439 55.6750 18.0007 179.8261 57 T 3.8372 7.8966 114.0542 66.9322 68.4978 176.4854 58 Y 4.0379 8.2294 118.8029 60.9638 37.8184 178.5218 59 L 3.9727 8.1768 121.0431 58.2921 42.2641 179.2332 60 V 3.5866 8.2067 118.1708 65.9814 31.4945 177.8875 61 A 4.0236 8.3695 120.8721 55.5384 18.2366 179.8274 62 T 4.0648 8.5247 114.5687 66.7267 68.5250 176.9668 63 A 4.0512 8.3861 123.0097 55.2863 18.1791 179.9680 64 R 4.2082 8.2040 115.9004 58.9577 30.2305 178.8291 65 G 3.7585 7.9896 104.0244 45.8821 0.0000 174.2677 66 Y 4.4671 7.6265 116.6617 59.7080 39.7564 177.0918 67 I 3.7269 7.6913 119.0501 64.3293 37.3776 177.1720 68 F 4.5884 7.5898 119.7544 55.9940 37.3757 175.4116 69 N 4.5533 7.9499 122.5282 52.4243 39.6317 175.4339 70 D 4.2777 8.5947 120.9551 57.6010 40.6839 179.4014 71 A 3.8642 7.5799 120.6004 54.9380 18.5465 178.9299 72 N 4.3297 10.1474 118.4585 57.4837 39.0964 177.8357 73 K 4.0713 8.6025 127.9069 60.5926 31.7489 181.7639 74 R 4.2669 8.0257 122.1517 61.3663 29.2877 181.0098 75 T 4.1064 8.0575 115.6975 66.5428 68.3598 176.5189 76 A 3.9948 8.0898 122.7511 55.2457 18.3796 179.5262 77 L 3.9229 7.9615 118.5219 58.3824 42.2054 178.5919 78 N 4.3611 8.5692 117.1130 56.4475 38.4220 177.5482 79 S 4.1253 8.2540 115.4098 61.3273 63.0804 176.2853 80 A 4.0373 7.7819 124.6246 55.0329 18.2637 179.6643 81 L 3.9029 8.0386 117.3508 57.4465 41.6804 179.4922 82 L 3.9263 8.2240 120.7783 57.9969 41.9277 178.6026 83 F 4.0985 8.3555 120.6488 61.3910 39.2766 177.1022 84 L 3.8438 7.7149 118.4258 57.7314 41.4254 179.7057 85 R 4.0224 7.5855 118.8260 58.8812 29.8318 179.2676 86 R 3.9299 7.7162 116.2864 58.5131 29.9575 177.8062 87 N 4.7392 7.1632 112.6408 52.5797 39.0685 175.6604 88 G 3.8710 8.0066 108.6715 45.0452 0.0000 174.0290 89 V 4.0069 7.5128 120.4305 61.5854 32.4577 174.9965 90 Q 4.2633 8.5212 126.1795 55.5285 29.3902 175.5704 91 V 3.6801 7.6916 114.8013 59.3696 35.2948 174.4552 92 F 4.8231 7.3223 113.0929 55.6901 39.8394 173.4836 93 D 4.5208 8.8532 121.9579 55.0981 41.6011 175.7279 94 S 4.8185 8.3451 118.2447 56.0353 65.6525 172.8753 95 P 4.3166 0.0000 0.0000 65.7683 31.6933 178.1657 96 E 4.0828 8.3553 117.4023 59.5482 29.1954 179.2839 97 L 4.0181 7.8235 118.8253 57.3793 41.2915 179.1280 98 A 3.9532 8.0141 120.3853 55.6512 18.3811 179.4063 99 D 4.3866 8.0161 116.4687 56.9005 40.9345 178.5563 100 L 3.8827 7.7681 120.8022 58.4850 42.0079 179.1957 101 T 3.7947 7.8211 115.7055 66.5689 68.3422 177.0623 102 V 3.4662 7.4063 119.8431 64.7459 31.3651 178.5158 103 G 3.5463 8.0237 106.4147 47.4249 0.0000 175.5104 104 A 4.0966 8.4719 123.2475 54.7419 18.1355 179.6772 105 A 3.7215 7.6396 120.1124 55.2594 18.3781 178.9173 106 T 4.0578 7.6763 104.4510 62.7239 69.2124 175.9184 107 G 3.9635 7.5315 109.1363 45.3045 0.0000 174.2888 108 E 4.0567 7.7620 119.1761 58.5944 29.6414 177.4495 109 I 4.3945 7.4788 119.0749 59.4589 39.0300 176.4269 110 S 4.4671 8.0012 119.8340 57.6949 65.2979 175.8413 111 V 3.6337 8.2827 122.8470 65.2852 30.8365 178.6577 112 S 4.1960 8.0163 115.4383 61.0561 62.7351 176.3792 113 S 4.3273 7.6383 116.4614 60.9697 62.9337 176.7211 114 V 3.5030 7.7690 121.6693 65.8007 31.2183 177.6233 115 A 4.0074 8.0748 120.7474 55.1580 18.2312 178.8131 116 D 4.4602 7.9181 115.8451 55.1047 39.9480 178.9891 117 T 3.7805 7.9535 118.1189 66.6806 68.4021 176.3020 118 L 3.8432 7.8366 120.7629 57.7491 41.6604 179.3973 119 R 3.8980 8.2099 118.8785 59.5343 29.7304 178.4826 120 R 3.8514 7.6858 117.0737 59.5094 30.1910 178.2315 121 L 4.0321 7.6718 117.5301 56.9928 41.6552 177.4720 122 Y 4.8559 7.8078 113.3096 57.6265 39.6564 176.0794 123 G 3.9204 8.4176 112.0570 45.5738 0.0000 174.7491 124 S 4.4350 8.4212 114.4016 58.0823 62.5214 172.3955 NUM RES H HA HB HB2 HB3 HD1 HD2 HD21 HD22 HD3 HE HE1 HE2 HE21 HE22 HE3 HG HG1 HG12 HG13 HG2 HG3 HZ 1 M 8.30 4.34 0.00 2.07 2.12 0.00 0.00 0.00 0.00 0.00 -0.08 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.66 2.61 0.00 2 R 8.39 4.35 0.00 1.85 1.71 0.00 3.25 0.00 0.00 3.21 7.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.48 1.73 0.00 3 H 9.42 5.00 0.00 3.27 3.29 0.00 5.76 0.00 0.00 0.00 0.00 6.88 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 4 I 8.28 4.00 1.95 0.00 0.00 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.67 0.84 0.96 0.00 0.00 5 S 9.38 4.65 0.00 4.09 4.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 6 P 0.00 4.29 0.00 2.18 2.17 0.00 3.60 0.00 0.00 3.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.12 2.17 0.00 7 E 7.83 4.12 0.00 2.14 2.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.30 2.50 0.00 8 E 8.14 3.99 0.00 2.25 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.33 0.00 9 L 7.84 3.95 0.00 1.78 1.82 0.95 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 0.00 0.00 0.00 0.00 0.00 0.00 10 I 7.84 3.70 1.89 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.48 0.97 0.00 0.00 11 A 7.82 4.04 1.36 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 12 L 7.86 3.93 0.00 1.98 1.78 0.96 0.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.85 0.00 0.00 0.00 0.00 0.00 0.00 13 H 8.49 4.14 0.00 3.19 3.47 0.00 5.60 0.00 0.00 0.00 0.00 6.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 14 D 8.67 4.35 0.00 2.93 2.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 15 A 8.39 3.99 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 16 N 8.12 4.51 0.00 2.79 3.05 0.00 0.00 7.09 6.73 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 17 I 7.93 3.91 1.83 0.00 0.00 0.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.45 0.57 0.92 0.00 0.00 18 S 8.08 4.23 0.00 4.06 3.90 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 19 R 7.20 3.83 0.00 1.49 1.36 0.00 3.12 0.00 0.00 3.11 7.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.55 1.68 0.00 20 Y 7.59 3.60 0.00 3.14 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 *29 P 0.00 4.39 0.00 2.06 2.14 0.00 3.62 0.00 0.00 3.65 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.90 2.08 0.00 30 G 7.59 4.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 31 R 8.26 4.03 0.00 2.12 1.98 0.00 3.25 0.00 0.00 3.34 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.59 1.18 0.00 32 A 7.86 4.19 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 33 E 8.24 3.91 0.00 1.98 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.32 1.96 0.00 34 A 7.95 4.15 1.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 35 I 8.12 3.74 2.09 0.00 0.00 0.85 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.52 0.80 1.01 0.00 0.00 36 I 8.09 3.76 2.01 0.00 0.00 1.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.83 1.25 0.94 0.00 0.00 37 G 8.60 3.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 38 R 8.59 3.90 0.00 1.79 1.95 0.00 3.27 0.00 0.00 3.09 7.57 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 39 V 7.93 3.58 1.77 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.10 0.00 0.00 0.62 0.00 0.00 40 Q 8.67 3.91 0.00 2.16 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.28 6.59 0.00 0.00 0.00 0.00 0.00 2.38 2.25 0.00 41 A 8.00 3.47 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 42 R 7.42 3.80 0.00 1.84 1.95 0.00 3.28 0.00 0.00 3.09 7.56 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.51 0.00 43 V 7.69 3.79 2.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.00 0.00 0.00 0.88 0.00 0.00 44 A 7.36 4.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 45 Y 8.58 4.56 0.00 2.92 3.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 46 E 8.13 4.63 0.00 2.14 1.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.24 2.31 0.00 *47 E 8.24 3.85 0.00 2.20 1.91 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.11 1.88 0.00 48 I 7.29 3.93 1.88 0.00 0.00 0.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.97 0.94 0.00 0.00 49 T 8.41 4.51 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.23 0.00 0.00 50 D 7.89 4.71 0.00 3.09 2.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 51 L 8.38 3.92 0.00 1.23 1.40 0.79 1.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 0.00 0.00 0.00 0.00 0.00 0.00 52 F 8.03 4.16 0.00 3.22 3.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 53 E 8.44 4.07 0.00 2.31 2.04 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.40 1.93 0.00 54 V 7.71 3.61 2.13 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.21 0.00 0.00 1.00 0.00 0.00 55 S 8.43 4.16 0.00 3.94 4.05 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 56 A 8.12 4.08 1.49 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 57 T 7.90 3.84 4.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.12 0.00 0.00 58 Y 8.23 4.04 0.00 3.18 2.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 59 L 8.18 3.97 0.00 2.01 1.83 0.95 0.78 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.73 0.00 0.00 0.00 0.00 0.00 0.00 60 V 8.21 3.59 2.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.98 0.00 0.00 0.97 0.00 0.00 61 A 8.37 4.02 1.33 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 62 T 8.52 4.06 4.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.28 0.00 0.00 63 A 8.39 4.05 1.40 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 64 R 8.20 4.21 0.00 1.93 2.09 0.00 3.20 0.00 0.00 3.27 7.59 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.82 1.86 0.00 65 G 7.99 3.76 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 66 Y 7.63 4.47 0.00 3.11 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 67 I 7.69 3.73 1.77 0.00 0.00 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.17 0.38 0.20 0.00 0.00 68 F 7.59 4.59 0.00 3.04 2.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 69 N 7.95 4.55 0.00 2.94 2.94 0.00 0.00 6.10 8.07 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 70 D 8.59 4.28 0.00 2.14 1.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 71 A 7.58 3.86 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 72 N 10.15 4.33 0.00 2.87 3.18 0.00 0.00 7.38 6.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 73 K 8.60 4.07 0.00 1.76 1.80 0.00 1.86 0.00 0.00 1.68 0.00 0.00 2.92 0.00 0.00 2.76 0.00 0.00 0.00 0.00 1.37 1.33 7.81 74 R 8.03 4.27 0.00 1.83 1.97 0.00 3.24 0.00 0.00 3.17 7.58 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.54 0.00 75 T 8.06 4.11 4.45 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 76 A 8.09 3.99 1.38 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 77 L 7.96 3.92 0.00 1.86 1.68 0.94 0.68 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 78 N 8.57 4.36 0.00 2.86 2.90 0.00 0.00 6.83 7.11 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 79 S 8.25 4.13 0.00 4.10 4.26 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 80 A 7.78 4.04 1.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 81 L 8.04 3.90 0.00 1.90 1.66 0.86 0.50 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.51 0.00 0.00 0.00 0.00 0.00 0.00 82 L 8.22 3.93 0.00 2.05 1.80 0.95 1.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.68 0.00 0.00 0.00 0.00 0.00 0.00 83 F 8.36 4.10 0.00 3.18 3.22 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 84 L 7.71 3.84 0.00 1.73 1.57 0.92 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.87 0.00 0.00 0.00 0.00 0.00 0.00 85 R 7.59 4.02 0.00 1.97 1.90 0.00 3.09 0.00 0.00 3.21 7.12 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.56 1.55 0.00 86 R 7.72 3.93 0.00 1.73 1.89 0.00 3.26 0.00 0.00 3.18 7.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.75 1.80 0.00 87 N 7.16 4.74 0.00 2.25 2.56 0.00 0.00 7.23 7.53 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 88 G 8.01 3.87 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 89 V 7.51 4.01 2.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.97 0.00 0.00 0.90 0.00 0.00 90 Q 8.52 4.26 0.00 2.16 2.15 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 7.41 6.57 0.00 0.00 0.00 0.00 0.00 2.39 2.39 0.00 91 V 7.69 3.68 1.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.15 0.00 0.00 0.73 0.00 0.00 92 F 7.32 4.82 0.00 3.18 3.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 93 D 8.85 4.52 0.00 2.73 2.74 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 94 S 8.35 4.82 0.00 3.94 3.62 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 95 P 0.00 4.32 0.00 2.09 2.13 0.00 3.80 0.00 0.00 3.72 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.06 2.15 0.00 96 E 8.36 4.08 0.00 1.94 1.98 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.39 2.32 0.00 97 L 7.82 4.02 0.00 1.66 1.74 1.07 0.99 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.58 0.00 0.00 0.00 0.00 0.00 0.00 98 A 8.01 3.95 1.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 99 D 8.02 4.39 0.00 2.72 2.71 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 100 L 7.77 3.88 0.00 1.93 1.82 0.89 0.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.47 0.00 0.00 0.00 0.00 0.00 0.00 101 T 7.82 3.79 4.32 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.18 0.00 0.00 102 V 7.41 3.47 2.03 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.80 0.00 0.00 0.90 0.00 0.00 103 G 8.02 3.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 104 A 8.47 4.10 1.30 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 105 A 7.64 3.72 0.24 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 106 T 7.68 4.06 4.28 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.29 0.00 0.00 107 G 7.53 3.96 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 108 E 7.76 4.06 0.00 2.22 2.01 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 2.34 2.16 0.00 109 I 7.48 4.39 1.83 0.00 0.00 0.83 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.33 0.52 0.89 0.00 0.00 110 S 8.00 4.47 0.00 4.17 3.97 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 111 V 8.28 3.63 2.06 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.86 0.00 0.00 0.90 0.00 0.00 112 S 8.02 4.20 0.00 3.88 3.94 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 113 S 7.64 4.33 0.00 4.16 4.10 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 114 V 7.77 3.50 2.21 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.99 0.00 0.00 0.97 0.00 0.00 115 A 8.07 4.01 1.41 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 116 D 7.92 4.46 0.00 2.92 2.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 117 T 7.95 3.78 4.34 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.14 0.00 0.00 118 L 7.84 3.84 0.00 1.93 1.85 0.96 1.02 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.71 0.00 0.00 0.00 0.00 0.00 0.00 119 R 8.21 3.90 0.00 2.02 2.09 0.00 3.11 0.00 0.00 3.11 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.64 1.68 0.00 120 R 7.69 3.85 0.00 2.06 2.09 0.00 3.29 0.00 0.00 3.20 7.55 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.60 1.65 0.00 121 L 7.67 4.03 0.00 1.07 0.37 0.81 0.39 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 1.37 0.00 0.00 0.00 0.00 0.00 0.00 122 Y 7.81 4.86 0.00 3.00 2.84 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 123 G 8.42 3.92 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 124 S 8.42 4.43 0.00 3.64 3.63 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 0.00 * Residues marked with a * may have inaccurate shift predictions.